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CHEBI:102137 - N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:102137
ChEBI NameN-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
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DownloadsMolfile
FormulaC29H30N2O7
Net Charge0
Average Mass518.566
Monoisotopic Mass518.20530
SMILESO=C(C[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24-,27+/m0/s1
InChIKeyIKYPBPDRSBKALY-NLJOTIRTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide (CHEBI:102137) is a aromatic ether (CHEBI:35618)
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